import subprocess import shlex import string from pathlib import Path import damask class Marc: """Wrapper to run DAMASK with MSCMarc.""" def __init__(self,version=damask.environment.options['MARC_VERSION']): """ Create a Marc solver object. Parameters ---------- version : float Marc version """ self.solver = 'Marc' self.version = version @property def library_path(self): path_MSC = damask.environment.options['MSC_ROOT'] path_lib = Path(f'{path_MSC}/mentat{self.version}/shlib/linux64') return path_lib if path_lib.is_dir() else None @property def tools_path(self): path_MSC = damask.environment.options['MSC_ROOT'] path_tools = Path(f'{path_MSC}/marc{self.version}/tools') return path_tools if path_tools.is_dir() else None #-------------------------- def submit_job(self, model, job = 'job1', logfile = False, compile = False, optimization = '', ): usersub = damask.environment.root_dir/'src/DAMASK_marc' usersub = usersub.parent/(usersub.name + ('.f90' if compile else '.marc')) if not usersub.is_file(): raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),usersub)) # Define options [see Marc Installation and Operation Guide, pp 23] script = f'run_damask_{optimization}mp' cmd = str(self.tools_path/Path(script)) + \ ' -jid ' + model + '_' + job + \ ' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no' if compile: cmd += ' -u ' + str(usersub) + ' -save y' else: cmd += ' -prog ' + str(usersub.with_suffix('')) print('job submission {} compilation: {}'.format(('with' if compile else 'without'),usersub)) if logfile: log = open(logfile, 'w') print(cmd) process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT) log.close() process.wait() #-------------------------- def exit_number_from_outFile(self,outFile=None): exitnumber = -1 with open(outFile,'r') as fid_out: for line in fid_out: if (string.find(line,'tress iteration') != -1): print(line) elif (string.find(line,'Exit number') != -1): substr = line[string.find(line,'Exit number'):len(line)] exitnumber = int(substr[12:16]) return exitnumber